UCSF

ZINC39240381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 1.06 -66.43 4 4 1 78 192.194 1
Mid Mid (pH 6-8) 0.62 0.65 -11.97 3 4 0 76 191.186 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )